2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

C22H26N6 — CID 73295099

IUPAC2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCC(C)C3)ccn1
InChIInChI=1S/C22H26N6/c1-13-7-8-18-17(11-13)19(16-9-10-23-14(2)12-16)20(22-25-27-28-26-22)21(24-18)15-5-3-4-6-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,25,26,27,28)
InChIKeyLSPFDXQDUWKIKF-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.41
Rot. Bonds3

About 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 73295099) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID73295099
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCC(C)C3)ccn1
InChIInChI=1S/C22H26N6/c1-13-7-8-18-17(11-13)19(16-9-10-23-14(2)12-16)20(22-25-27-28-26-22)21(24-18)15-5-3-4-6-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,25,26,27,28)
InChIKeyLSPFDXQDUWKIKF-UHFFFAOYSA-N
XLogP4.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

4-Butyl-1-((1R,2R,6S)-2,6-dimethyl-cyclohexyl)-3-{6-[2-(1H-tetrazol-5-yl)-phenyl]-pyridin-3-ylmethyl}-1,3-dihydro-imidazol-2-one
CID 9935096
1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
CID 318839
Sdccggsk-0000053.P001
CID 44418481
2-cyclohexyl-4-(2-methylpyridin-4-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 118589197
2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 118589228
4-(2-p-tolyl-2H-tetrazol-5-yl)quinoline
CID 16066522
3-[2-(4-Methylphenyl)-5-tetrazolyl]quinoline
CID 16066626
3-[(E)-2-(2,6-dimethyl-4-pyridin-3-ylphenyl)ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 44418488
3-[(E)-2-(2,6-dimethyl-4-pyridin-2-ylphenyl)ethenyl]-5-(2H-tetrazol-5-yl)pyridine;hydrochloride
CID 57398866
3-[2-(2,6-dimethyl-4-pyridin-2-ylphenyl)ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 53239968
3-(2H-tetrazole-5-yl)-quinoline
CID 22395690
2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90042132

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (CID 73295099) is 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is Cc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCC(C)C3)ccn1.
What is the InChIKey of 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is LSPFDXQDUWKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-13-7-8-18-17(11-13)19(16-9-10-23-14(2)12-16)20(22-25-27-28-26-22)21(24-18)15-5-3-4-6-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,25,26,27,28).
What are the key properties of 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 374.49 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 73295099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).